N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-1-tert-butylpyrazole-4-carboxamide

C16H19F3N4O — CID 120604907

IUPACN-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-1-tert-butylpyrazole-4-carboxamide
SMILESCC(C)(C)n1cc(C(=O)Nc2cc(CN)cc(C(F)(F)F)c2)cn1
InChIInChI=1S/C16H19F3N4O/c1-15(2,3)23-9-11(8-21-23)14(24)22-13-5-10(7-20)4-12(6-13)16(17,18)19/h4-6,8-9H,7,20H2,1-3H3,(H,22,24)
InChIKeyRYTRFHFMTOCFKV-UHFFFAOYSA-N
MW340.35 g/mol
LogP3.37
Rot. Bonds3

About N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-1-tert-butylpyrazole-4-carboxamide

N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-1-tert-butylpyrazole-4-carboxamide (PubChem CID 120604907) has the molecular formula C16H19F3N4O and a molecular weight of 340.35 g/mol. Its IUPAC name is N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-1-tert-butylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-1-tert-butylpyrazole-4-carboxamide
PubChem CID120604907
Molecular FormulaC16H19F3N4O
Molecular Weight340.35 g/mol
Exact Mass340.15
IUPAC NameN-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-1-tert-butylpyrazole-4-carboxamide
SMILESCC(C)(C)n1cc(C(=O)Nc2cc(CN)cc(C(F)(F)F)c2)cn1
InChIInChI=1S/C16H19F3N4O/c1-15(2,3)23-9-11(8-21-23)14(24)22-13-5-10(7-20)4-12(6-13)16(17,18)19/h4-6,8-9H,7,20H2,1-3H3,(H,22,24)
InChIKeyRYTRFHFMTOCFKV-UHFFFAOYSA-N
XLogP3.37
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.35
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-1-tert-butyl-5-methylpyrazole-4-carboxamide
CID 120605651
N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-1-tert-butyl-5-ethylpyrazole-4-carboxamide
CID 120605053
N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide
CID 120605603
N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-3,3-dimethylbutanamide;hydrochloride
CID 120605696
N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-4,6-dimethoxypyrimidine-5-carboxamide
CID 120604881
N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide;hydrochloride
CID 120604998
N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-4-propan-2-ylpyrimidine-5-carboxamide
CID 120605495
N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]cyclopropanecarboxamide
CID 120605553
N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 120605381
N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-3-(cyclopropanecarbonylamino)benzamide
CID 120605659
N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-4-ethylthiadiazole-5-carboxamide;hydrochloride
CID 120604802
N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]cyclobutanecarboxamide
CID 120605415

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-1-tert-butylpyrazole-4-carboxamide?
The IUPAC name of N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-1-tert-butylpyrazole-4-carboxamide (CID 120604907) is N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-1-tert-butylpyrazole-4-carboxamide.
What is the SMILES notation for N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-1-tert-butylpyrazole-4-carboxamide?
The canonical SMILES for N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-1-tert-butylpyrazole-4-carboxamide is CC(C)(C)n1cc(C(=O)Nc2cc(CN)cc(C(F)(F)F)c2)cn1.
What is the InChIKey of N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-1-tert-butylpyrazole-4-carboxamide?
The InChIKey is RYTRFHFMTOCFKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F3N4O/c1-15(2,3)23-9-11(8-21-23)14(24)22-13-5-10(7-20)4-12(6-13)16(17,18)19/h4-6,8-9H,7,20H2,1-3H3,(H,22,24).
What are the key properties of N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-1-tert-butylpyrazole-4-carboxamide?
N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-1-tert-butylpyrazole-4-carboxamide has a molecular weight of 340.35 g/mol, XLogP of 3.37, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-1-tert-butylpyrazole-4-carboxamide is sourced from PubChem (CID 120604907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).